fragmenstein/demo/mac1_mols/diamond-x0805_A.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
-4.3450 15.4970 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1810 15.5290 -0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1110 14.6970 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4370 14.1500 -4.2120 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9380 14.8200 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2630 10.9150 -2.8150 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7200 14.0210 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9680 12.7430 -1.8240 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 13.0880 -3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8520 12.9660 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0820 13.7800 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4570 14.1750 -4.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4350 15.3210 -3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7160 15.3860 -4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6690 13.0760 -4.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3270 12.8410 -4.1280 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5560 12.1700 -2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 5 2 0
3 11 1 0
5 7 1 0
11 10 2 0
4 14 1 0
4 15 1 0
14 13 1 0
15 16 1 0
7 9 2 0
12 7 1 1
6 17 1 0
17 8 2 0
16 17 1 1
9 10 1 0
12 13 1 0
12 16 1 0
M END